Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Mar-2025 | picarbutrazox_E_CONF170_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99809052; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF165_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99624851; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF228_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99856926; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF233_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99845774; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF220_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99839860; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF231_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99840052; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF216_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99712238; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF218_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99846947; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF223_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99836682; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF222_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99711741; Eh |
Results 1711-1720 of 1915 (Search time: 0.001 seconds).
Discover
Calculation type